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(1R,2R,5S)-2-((R)-1-Hydroxyhexyl)-8,8-dimethylbicyclo[3.2.1]octan-3-one
SpectraBase Compound ID LtxKCS8k3Q9
InChI InChI=1S/C16H28O2/c1-4-5-6-7-13(17)15-12-9-8-11(10-14(15)18)16(12,2)3/h11-13,15,17H,4-10H2,1-3H3/t11-,12-,13+,15+/m0/s1
InChIKey DUEBIEGDLAWIPX-RMRHIDDWSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SEuA1L3ST5
Name (1R,2R,5S)-2-((R)-1-Hydroxyhexyl)-8,8-dimethylbicyclo[3.2.1]octan-3-one
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Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-4-5-6-7-13(17)15-12-9-8-11(10-14(15)18)16(12,2)3/h11-13,15,17H,4-10H2,1-3H3/t11-,12-,13+,15+/m0/s1
InChIKey DUEBIEGDLAWIPX-RMRHIDDWSA-N
Literature Reference DOI 10.1002/ajoc.201200038
Molecular Weight 252.398 g/mol
SMILES O[C@@]([C@]1([C@@]2([H])C(C)(C)[C@@](CC1=O)([H])CC2)[H])(CCCCC)[H]
SPLASH splash10-0ue9-2900000000-002ee999dc957b1976a6
Source of Spectrum AJO-1-30/SM39-12
Wiley ID 1769865